Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28831901 | 0.78 | MEN1 (0.35) | SIGMAR1 | |
| SCHEMBL24797923 | 0.77 | SLC18A3 (0.35) | SLC18A3OPRM1OPRK1OPRD1 | |
| SCHEMBL28831893 | 0.74 | MEN1 (0.35) | — | |
| SCHEMBL14402287 | 0.74 | SIGMAR1 (0.31) | SIGMAR1 | |
| SCHEMBL3323907 | 0.74 | HRH4 (0.40) | SIGMAR1CHRM2 | |
| SCHEMBL24654499 | 0.73 | CHRM2 (0.37) | SIGMAR1CHRM2 | |
| SCHEMBL12510576 | 0.73 | SLC18A3 (0.42) | SLC18A3OPRM1OPRK1OPRD1SIGMAR1 | |
| SCHEMBL28831906 | 0.72 | MEN1 (0.33) | — | |
| SCHEMBL20091645 | 0.71 | SLC18A3 (0.41) | SLC18A3OPRM1OPRK1OPRD1SIGMAR1 | |
| SCHEMBL6659181 | 0.70 | CYP1A2 (0.41) | SIGMAR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6472553-B1 | REACTING ACRYLONITRILE WITH CYCLOALIPHATIC VICINAL DIAMINES IN THE PRESENCE OF WATER AND AN ACID CATALYST WITH PKA OF -3.0-7. 5 | AIR PRODUCTS AND CHEMICALS, INC. | 2002-10-29 | — | — | US | disclosed |
| US-6433212-B1 | COMPOUNDS WITH SECONDARY AMINE AND NITRILE GROUPS | AIR PRODUCTS AND CHEMICALS, INC. | 2002-08-13 | — | — | US | disclosed |